Tetteh, J.; Suzuki, T.; Metcalfe, E.; Howells, S. Quantitative Structure-Property Relationships for the Estimation of Boiling Point and Flash Point Using a Radial Basis Function Neural Network. J. Chem. Inf. Model. 1999, 39, 491-507.
Compound
| ID: | 245 | |
|---|---|---|
| Name: | p-Acetotoluide | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 103-89-9 | |
| InChi Code: | InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11) |
Properties
Tb: Boiling point [°C]
| Value | Source or prediction |
|---|---|
| 307 |
experimental value |
| 321.9 |
Tab7_Tb: RBF-NN model for diverse chemicals (Validation set) |
Tf: Flash point [°C]
| Value | Source or prediction |
|---|---|
| 168 |
experimental value |
| 184.1 |
Tab7_Tf: RBF-NN model for diverse chemicals (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6024414 | US EPA CompTox Dashboard |